1,2-difluoro-1-methoxy-N-methylpropan-2-amine

C5H11F2NO — CID 89115202

IUPAC1,2-difluoro-1-methoxy-N-methylpropan-2-amine
SMILESCNC(C)(F)C(F)OC
InChIInChI=1S/C5H11F2NO/c1-5(7,8-2)4(6)9-3/h4,8H,1-3H3
InChIKeyQCJDRRQGDXCBRC-UHFFFAOYSA-N
MW139.14 g/mol
LogP0.83
Rot. Bonds3

About 1,2-difluoro-1-methoxy-N-methylpropan-2-amine

1,2-difluoro-1-methoxy-N-methylpropan-2-amine (PubChem CID 89115202) has the molecular formula C5H11F2NO and a molecular weight of 139.14 g/mol. Its IUPAC name is 1,2-difluoro-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,2-difluoro-1-methoxy-N-methylpropan-2-amine
PubChem CID89115202
Molecular FormulaC5H11F2NO
Molecular Weight139.14 g/mol
Exact Mass139.08
IUPAC Name1,2-difluoro-1-methoxy-N-methylpropan-2-amine
SMILESCNC(C)(F)C(F)OC
InChIInChI=1S/C5H11F2NO/c1-5(7,8-2)4(6)9-3/h4,8H,1-3H3
InChIKeyQCJDRRQGDXCBRC-UHFFFAOYSA-N
XLogP0.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1,2-difluoro-1-methoxy-N-methylpropan-2-amine (CID 89115202) is 1,2-difluoro-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1,2-difluoro-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1,2-difluoro-1-methoxy-N-methylpropan-2-amine is CNC(C)(F)C(F)OC.
What is the InChIKey of 1,2-difluoro-1-methoxy-N-methylpropan-2-amine?
The InChIKey is QCJDRRQGDXCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-5(7,8-2)4(6)9-3/h4,8H,1-3H3.
What are the key properties of 1,2-difluoro-1-methoxy-N-methylpropan-2-amine?
1,2-difluoro-1-methoxy-N-methylpropan-2-amine has a molecular weight of 139.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 89115202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).